engleski

Structure-Activity Relationships for Herbicides

Herbicides are chemical compounds of small molecular mass intended for selective destruction of weeds. Continuous increase in herbicide resistance has been serious global problem. In order to facilitate use of rotational program of herbicides and impede the resistance development, herbicides have been classified according to their chemical structure and mechanism of action (MOA) [1]. Additionally, new herbicides have been designed and developed [2]. Since herbicides are toxic according to their MOA, their use may also be detrimental for environment and human health, as well. Herein, we present results revealing links between ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicology) features or MOAs with the structural and physicochemical properties of herbicides. Experimental data have been gathered from literature and open accessed databases. Molecular descriptors have been computed using free software like DataWarrior. The aim of the research has been to find structure-activity relationships (SAR) rules that would facilitate the synthesis of new pesticides with no significant effects on environment and human health. [1] A. Forouzesh, E. Zand, S. Soufizadeh, S. Samadi Foroushani, Weed Res. 55 (2015) 334. [2] M. D. Garcia, A. Nouwens, T. G. Lonhienne, L. W. Guddat, Proc. Natl. Acad. Sci. USA. 114 (2017) 1091.

herbicides ; toxicity ; weed resistance

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